SCHEMBL18925342

SCHEMBL18925342

c1ccc2c(c1)NC[C@H]1CCC21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
NOS2 P35228 1/20 0.33
CCR2 P41597 1/20 0.31
AR P10275 3/20 0.31
CCKBR P32239 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
KDM1A O60341 1/20 0.31
KDM1B Q8NB78 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20750781 1.00 MEN1 (0.35) MEN1GAAKMT2ACHRNB4CHRNA3
SCHEMBL8266212 0.89 AR (0.40) MEN1GAAKMT2ANOS2AR
SCHEMBL13438556 0.89 AR (0.40) MEN1GAAKMT2ANOS2AR
SCHEMBL3600208 0.89 AR (0.40) MEN1GAAKMT2ANOS2AR
SCHEMBL7252266 0.89 LMNA (0.41) MEN1GAAKMT2ANOS2AR
SCHEMBL5661864 0.89 AR (0.40) MEN1GAAKMT2ANOS2AR
SCHEMBL24138192 0.82 CHRNB4 (0.39) MEN1GAAKMT2ACHRNB4CHRNA3
SCHEMBL19696035 0.82 CHRNB4 (0.39) MEN1GAAKMT2ACHRNB4CHRNA3
SCHEMBL19122664 0.82 CHRNB4 (0.39) MEN1GAAKMT2ACHRNB4CHRNA3
SCHEMBL30417082 0.81 CHRNB4 (0.39) MEN1GAAKMT2ACHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635556-B1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARM INC (US) 2017-06-21 EP disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed